2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum

C40H38N3OPt- — CID 156666168

IUPAC2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum
SMILESCc1cccc(C)c1-c1cnc(-c2cccc(-c3cccc(-c4[c-]cccc4)n3)c2O)n1-c1c(C(C)C)cccc1C(C)C.[Pt]
InChIInChI=1S/C40H38N3O.Pt/c1-25(2)30-18-11-19-31(26(3)4)38(30)43-36(37-27(5)14-10-15-28(37)6)24-41-40(43)33-21-12-20-32(39(33)44)35-23-13-22-34(42-35)29-16-8-7-9-17-29;/h7-16,18-26,44H,1-6H3;/q-1;
InChIKeyTWVCRMAGWOXZFN-UHFFFAOYSA-N
MW771.84 g/mol
LogP10.30
Rot. Bonds7

About 2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum

2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum (PubChem CID 156666168) has the molecular formula C40H38N3OPt- and a molecular weight of 771.84 g/mol. Its IUPAC name is 2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum.

Molecular Properties

Compound Name2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum
PubChem CID156666168
Molecular FormulaC40H38N3OPt-
Molecular Weight771.84 g/mol
Exact Mass771.27
IUPAC Name2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum
SMILESCc1cccc(C)c1-c1cnc(-c2cccc(-c3cccc(-c4[c-]cccc4)n3)c2O)n1-c1c(C(C)C)cccc1C(C)C.[Pt]
InChIInChI=1S/C40H38N3O.Pt/c1-25(2)30-18-11-19-31(26(3)4)38(30)43-36(37-27(5)14-10-15-28(37)6)24-41-40(43)33-21-12-20-32(39(33)44)35-23-13-22-34(42-35)29-16-8-7-9-17-29;/h7-16,18-26,44H,1-6H3;/q-1;
InChIKeyTWVCRMAGWOXZFN-UHFFFAOYSA-N
XLogP10.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.84
LogP ≤ 510.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

bis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+)
CID 59661679
tris(1-[2-(2,6-dimethylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole);iridium(3+)
CID 86292659
nickel;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol
CID 153499066
iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine
CID 153426884
iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol
CID 171438625
5-(2,6-diphenylphenyl)-6-methylimidazo[1,2-c][1,3,2]benzodiazaborinin-10-ol;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium
CID 162493991
chloronickel;2,6-di(phenyl)pyridine
CID 153499161
bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);iridium(3+);2-phenylpyridine
CID 170539461
2-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6-[6-(1H-naphthalen-1-id-2-yl)-2-pyridinyl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6-[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6-[6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6-(3-phenylisoquinolin-1-yl)phenol;2-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6-(1-phenyl-6-propan-2-ylisoquinolin-3-yl)phenol;platinum
CID 159325057
2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol
CID 157481244
5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine)
CID 160589768
1-(2,6-dimethylphenyl)-7-[2,6-di(propan-2-yl)phenyl]-2-methyl-6-phenylimidazo[4,5-c]azaborinine;iridium
CID 166043743

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum?
The IUPAC name of 2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum (CID 156666168) is 2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum.
What is the SMILES notation for 2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum?
The canonical SMILES for 2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum is Cc1cccc(C)c1-c1cnc(-c2cccc(-c3cccc(-c4[c-]cccc4)n3)c2O)n1-c1c(C(C)C)cccc1C(C)C.[Pt].
What is the InChIKey of 2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum?
The InChIKey is TWVCRMAGWOXZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38N3O.Pt/c1-25(2)30-18-11-19-31(26(3)4)38(30)43-36(37-27(5)14-10-15-28(37)6)24-41-40(43)33-21-12-20-32(39(33)44)35-23-13-22-34(42-35)29-16-8-7-9-17-29;/h7-16,18-26,44H,1-6H3;/q-1;.
What are the key properties of 2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum?
2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum has a molecular weight of 771.84 g/mol, XLogP of 10.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum is sourced from PubChem (CID 156666168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).